| 5:49:56 PM PDT - Wed, May 22nd 2013 |
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Fix for reducing the number of SCF cycles
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The following is a fix, not fully validated yet, for getting the number of SCF iterations
of the DFT code from the 6.3 version close to the 6.1 behavior
The patch is available at the following URL
http://nwchemgit.github.io/images/Iswtch.patch.gz
To apply
cd $NWCHEM_TOP/src
wget http://nwchemgit.github.io/images/Iswtch.patch.gz
gzip -d Iswtch.patch
patch -p0 < Iswtch.patch
cd nwdft/scf_dft
make
cd ../..
make link
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